Magnesium in PDB 2i3d: Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens

The structure of Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens, PDB code: 2i3d was solved by J.Osipiuk, X.Xu, H.Zheng, A.Savchenko, A.Edwards, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.50 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.549, 50.579, 54.844, 92.25, 115.17, 99.82
R / Rfree (%)	13.8 / 17.4

The structure of Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Magnesium atom in the Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens (pdb code 2i3d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens, PDB code: 2i3d:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:19.0 occ:0.90 O A:HOH744 2.0 22.6 1.0 O A:HOH753 2.0 19.7 1.0 O A:HOH658 2.1 18.4 1.0 O A:HOH654 2.1 21.4 1.0 OE2 A:GLU218 2.1 20.5 1.0 CD A:GLU218 3.1 21.4 1.0 OE1 A:GLU218 3.4 20.9 1.0 O A:GLY213 4.0 17.1 1.0 O A:VAL216 4.3 13.4 1.0 O A:HOH692 4.3 31.7 1.0 CG A:GLU218 4.5 20.2 1.0 O A:PRO217 4.6 16.9 1.0 O A:HOH838 4.7 42.4 1.0 CA A:GLU218 4.8 20.5 1.0 CG2 A:VAL216 4.8 15.9 1.0 C A:PRO217 4.9 16.6 1.0 N A:GLU218 4.9 17.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Protein of Unknown Function ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:18.8 occ:0.80 O B:HOH757 1.9 23.3 1.0 O B:HOH858 2.0 28.1 1.0 O B:HOH708 2.2 26.1 1.0 OE2 B:GLU218 2.2 22.8 1.0 O B:HOH857 2.3 24.0 1.0 CD B:GLU218 3.1 20.8 1.0 OE1 B:GLU218 3.4 20.5 1.0 O B:GLY213 3.8 15.5 1.0 O B:HOH776 4.3 27.8 1.0 O B:VAL216 4.4 13.4 1.0 CG B:GLU218 4.5 17.7 1.0 CA B:GLU218 4.7 16.4 1.0 O B:PRO217 4.9 14.7 1.0 N B:GLU218 5.0 15.4 1.0

J.Osipiuk, X.Xu, H.Zheng, A.Savchenko, A.Edwards, A.Joachimiak. Crystal Structure of Hypothetical Protein ATU1826, A Putative Alpha/Beta Hydrolase From Agrobacterium Tumefaciens. To Be Published.